1-[rel-(3R,4R)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
1-[rel-(3R,4R)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S995-0041 |
| Compound Name: | 1-[rel-(3R,4R)-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-4-(phenoxymethyl)pyrrolidin-1-yl]ethan-1-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | CC(N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(c1c(C)nco1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2675 |
| logD: | 2.2675 |
| logSw: | -2.361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.377 |
| InChI Key: | PGFNWBZLNKPCDT-TZIWHRDSSA-N |